SCHEMBL28905181

SCHEMBL28905181

O=Cc1cccn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.70
▸ POLB P06746 4/20 0.70
▸ ATM Q13315 1/20 0.61
▸ KMT2A Q03164 5/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ RECQL P46063 2/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ MAPK1 P28482 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 3/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19456938 0.83 MAPT (0.53) ALDH1A1POLBKMT2AL3MBTL1MAPT
SCHEMBL19457037 0.81 ALDH1A1 (0.53) ALDH1A1POLBKMT2AL3MBTL1MAPT
SCHEMBL1127259 0.76 ATM (1.00) ALDH1A1POLBATMKMT2AL3MBTL1
SCHEMBL8129744 0.76 ALDH1A1 (0.60) ALDH1A1POLBATMKMT2AMAPT
SCHEMBL13253427 0.76 ALDH1A1 (0.60) ALDH1A1POLBATMKMT2AL3MBTL1
SCHEMBL25240419 0.75 ATM (0.69) ALDH1A1POLBATMKMT2AL3MBTL1
SCHEMBL6634976 0.75 ATM (0.69) ALDH1A1POLBATMKMT2AL3MBTL1
SCHEMBL6052462 0.75 ATM (0.69) ALDH1A1POLBATMKMT2AL3MBTL1
SCHEMBL28775954 0.75 ATM (0.69) ALDH1A1POLBATMKMT2AL3MBTL1
SCHEMBL3211700 0.75 ATM (0.69) ALDH1A1POLBATMKMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943935-A Prolinol rapid desulfurizing agent and preparation method thereof 西安工业大学 2020-11-17 — — CN disclosed
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